SCHEMBL3916714

SCHEMBL3916714

N=C(N)NCCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
MPO P05164 3/20 0.50
CNR1 P21554 1/20 0.49
HPGD P15428 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MTNR1A P48039 1/20 0.45
NPC1 O15118 3/20 0.45
HIF1A Q16665 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 2/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AOC3 Q16853 1/20 0.43
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30496749 1.00 TAAR1 (0.55) TAAR1MPOCNR1HPGDTRPV1
Hydrochloric Acid SCHEMBL28482472 0.98 TAAR1 (0.53) TAAR1MPOCNR1HPGDTRPV1
SCHEMBL17198837 0.87 TAAR1 (0.49) TAAR1MPOCNR1HPGDTRPV1
SCHEMBL3918747 0.82 TAAR1 (0.55) TAAR1MPOCNR1HPGDTRPV1
SCHEMBL10310299 0.81 RIPK1 (0.49) TAAR1MPOHPGDKMT2AMEN1
SCHEMBL31344502 0.81 RIPK1 (0.49) TAAR1MPOHPGDKMT2AMEN1
SCHEMBL3926227 0.80 MPO (0.55) TAAR1MPOMTNR1AHIF1AKDM4E
SCHEMBL30496716 0.79 TAAR1 (0.50) TAAR1HPGDMTNR1AKDM4EKMT2A
SCHEMBL10310457 0.79 TAAR1 (0.50) TAAR1HPGDMTNR1AKDM4EKMT2A
SCHEMBL3998817 0.79 TAAR1 (0.50) TAAR1MPOCNR1MTNR1AHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-10259781-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-16 US disclosed
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 TAAR1 4813/4885MPO 4045/4885CNR1 3701/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 TAAR1 4813/4885MPO 4045/4885CNR1 3701/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 TAAR1 4813/4885MPO 4045/4885CNR1 3701/4885
US-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 TAAR1 1128/4885MPO 1947/4885CNR1 208/4885
US-10259781-B2 Imaging agents SLC18A1, VHL, GDI1 TAAR1 130/4885MPO 2156/4885CNR1 470/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885MPO 1537/4885CNR1 4511/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 TAAR1 130/4885MPO 2156/4885CNR1 470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.